Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for C₄H₇NO (2-Pyrrolidinone)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		247
	Energy 298.15K		234
	Atomization Enthalpy 298.15K	x	172	x
	Atomization Enthalpy 0K		181
	Entropy (298.15K)		168
	Entropy at any temperature		168
	Integrated Heat Capacity		168
	Heat Capacity (Cp)		168
	Nuclear Repulsion Energy		234
	HOMO-LUMO Energies		232
	Barriers to Internal Rotation		0
Geometries	Cartesians		213
	Internal Coordinates		212
	Products of moments of inertia		223
	Rotational Constants		228
	Point Group		236
Vibrations	Vibrational Frequencies		222
	Vibrational Intensities		233
	Zero-point energies		222
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		176
	Dipole		220
	Quadrupole		213
	Polarizability		161
Other results	Spin		0
	Number of basis functions		7
	Conformations		1